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	hartrees
Energy at 0K	-195.441751
Energy at 298.15K
HF Energy	-195.441751
Nuclear repulsion energy	186.667234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3179	3013	65.78
2	A	3163	2998	16.53
3	A	3161	2996	6.98
4	A	3152	2988	12.60
5	A	3145	2981	19.59
6	A	3118	2956	34.37
7	A	3103	2941	21.53
8	A	3098	2937	20.52
9	A	3097	2935	21.10
10	A	3095	2934	21.04
11	A	1578	1496	0.32
12	A	1555	1473	10.02
13	A	1552	1471	9.68
14	A	1550	1469	8.23
15	A	1541	1461	0.12
16	A	1386	1314	1.84
17	A	1386	1313	2.72
18	A	1378	1306	0.37
19	A	1366	1295	1.99
20	A	1364	1293	1.22
21	A	1327	1258	2.02
22	A	1285	1218	0.12
23	A	1261	1195	0.69
24	A	1246	1181	0.32
25	A	1204	1141	0.01
26	A	1068	1012	0.07
27	A	1064	1008	0.07
28	A	1044	989	1.26
29	A	1012	959	2.02
30	A	918	870	3.31
31	A	910	862	3.73
32	A	890	843	0.92
33	A	888	842	1.40
34	A	844	800	0.33
35	A	785	744	2.25
36	A	637	604	0.21
37	A	565	536	2.45
38	A	268	254	0.00
39	A	65i	62i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	1.086	-0.642	0.262
C2	-0.475	1.207	0.130
C3	-1.308	-0.112	0.015
C4	-0.267	-1.262	-0.159
C5	0.973	0.809	-0.248
H6	-0.492	1.570	1.163
H7	-0.867	2.000	-0.512
H8	-1.992	-0.074	-0.837
H9	-1.909	-0.265	0.917
H10	-0.213	-1.560	-1.212
H11	-0.524	-2.147	0.430
H12	1.943	-1.178	-0.156
H13	1.176	-0.642	1.356
H14	1.096	0.822	-1.339
H15	1.720	1.477	0.191

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.4230	2.4639	1.5463	1.5423	2.8630	3.3758	3.3173	3.0883	2.1689	2.2101	1.0940	1.0973	2.1698	2.2130
C2	2.4230		1.5636	2.4941	1.5486	1.0957	1.0937	2.2088	2.2002	3.0858	3.3674	3.4079	2.7653	2.1841	2.2120
C3	2.4639	1.5636		1.5609	2.4737	2.1937	2.2212	1.0940	1.0942	2.1911	2.2200	3.4255	2.8721	2.9121	3.4235
C4	1.5463	2.4941	1.5609		2.4152	3.1338	3.3358	2.2015	2.2015	1.0961	1.0937	2.2117	2.1821	2.7553	3.4015
C5	1.5423	1.5486	2.4737	2.4152		2.1728	2.2081	3.1495	3.2887	2.8188	3.3821	2.2125	2.1725	1.0972	1.0940
H6	2.8630	1.0957	2.1937	3.1338	2.1728		1.7702	2.9929	2.3313	3.9393	3.7891	3.9016	2.7777	3.0563	2.4183
H7	3.3758	1.0937	2.2212	3.3358	2.2081	1.7702		2.3826	2.8738	3.6865	4.2669	4.2572	3.8272	2.4335	2.7312
H8	3.3173	2.2088	1.0940	2.2015	3.1495	2.9929	2.3826		1.7662	2.3473	2.8384	4.1435	3.8950	3.2540	4.1523
H9	3.0883	2.2002	1.0942	2.2015	3.2887	2.3313	2.8738	1.7662		3.0139	2.3868	4.1014	3.1391	3.9107	4.0899
H10	2.1689	3.0858	2.1911	1.0961	2.8188	3.9393	3.6865	2.3473	3.0139		1.7717	2.4318	3.0610	2.7206	3.8634
H11	2.2101	3.3674	2.2200	1.0937	3.3821	3.7891	4.2669	2.8384	2.3868	1.7717		2.7149	2.4523	3.8167	4.2691
H12	1.0940	3.4079	3.4255	2.2117	2.2125	3.9016	4.2572	4.1435	4.1014	2.4318	2.7149		1.7775	2.4734	2.6863
H13	1.0973	2.7653	2.8721	2.1821	2.1725	2.7777	3.8272	3.8950	3.1391	3.0610	2.4523	1.7775		3.0678	2.4784
H14	2.1698	2.1841	2.9121	2.7553	1.0972	3.0563	2.4335	3.2540	3.9107	2.7206	3.8167	2.4734	3.0678		1.7769
H15	2.2130	2.2120	3.4235	3.4015	1.0940	2.4183	2.7312	4.1523	4.0899	3.8634	4.2691	2.6863	2.4784	1.7769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	104.924	C1	C4	H10	109.147
C1	C4	H11	112.547	C1	C5	C2	103.244
C1	C5	H14	109.425	C1	C5	H15	113.066
C2	C3	C4	105.920	C2	C3	H8	111.202
C2	C3	H9	110.504	C2	C5	H14	110.111
C2	C5	H15	112.529	C3	C2	C5	105.274
C3	C2	H6	109.903	C3	C2	H7	112.201
C3	C4	H10	109.868	C3	C4	H11	112.295
C4	C1	C5	102.884	C4	C1	H12	112.667
C4	C1	H13	110.107	C4	C3	H8	110.810
C4	C3	H9	110.800	C5	C1	H12	113.027
C5	C1	H13	109.633	C5	C2	H6	109.308
C5	C2	H7	112.225	H6	C2	H7	107.900
H8	C3	H9	107.642	H10	C4	H11	108.011
H12	C1	H13	108.426	H14	C5	H15	108.377

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: wB97X-D/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.418
2	C	-0.418
3	C	-0.418
4	C	-0.418
5	C	-0.418
6	H	0.211
7	H	0.209
8	H	0.211
9	H	0.211
10	H	0.210
11	H	0.208
12	H	0.207
13	H	0.207
14	H	0.208
15	H	0.207

	x	y	z	Total
	-0.001	0.001	0.001	0.002
CHELPG
AIM
ESP

	x	y	z
x	7.210	0.005	-0.001
y	0.005	7.213	0.008
z	-0.001	0.008	6.676

<r²>	116.085
(<r²>)^1/2	10.774

All results from a given calculation for C5H10 (Cyclopentane)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)